methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]-2-methyl-benzoate CAS Name: 3-[[[1-[(2,4-dichlorophenyl)methylsulfonyl]-3-piperidinyl]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[[1-(2,4-dichlorobenzyl)sulfonylnipecotoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C22H24Cl2N2O5S/c1-14-18(22(28)31-2)6-3-7-20(14)25-21(27)15-5-4-10-26(12-15)32(29,30)13-16-8-9-17(23)11-19(16)24/h3,6-9,11,15H,4-5,10,12-13H2,1-2H3,(H,25,27)